ChemSpider 2D Image | 2-(3-Fluorophenoxy)-1-{4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-1-piperidinyl}ethanone | C16H19FN4O3

2-(3-Fluorophenoxy)-1-{4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-1-piperidinyl}ethanone

  • Molecular FormulaC16H19FN4O3
  • Average mass334.345 Da
  • Monoisotopic mass334.144104 Da
  • ChemSpider ID22412737

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-(3-Fluorophenoxy)-1-{4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-1-piperidinyl}ethanone [ACD/IUPAC Name]
2-(3-Fluorophénoxy)-1-{4-[4-(hydroxyméthyl)-1H-1,2,3-triazol-1-yl]-1-pipéridinyl}éthanone [French] [ACD/IUPAC Name]
2-(3-Fluorphenoxy)-1-{4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-1-piperidinyl}ethanon [German] [ACD/IUPAC Name]
Ethanone, 2-(3-fluorophenoxy)-1-[4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]-1-piperidinyl]- [ACD/Index Name]
(1-{1-[(3-fluorophenoxy)acetyl]-4-piperidinyl}-1H-1,2,3-triazol-4-yl)methanol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 580.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 304.9±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 85.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.12
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.51
ACD/KOC (pH 5.5): 46.69
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.51
ACD/KOC (pH 7.4): 46.69
Polar Surface Area: 80 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 239.6±7.0 cm3

Click to predict properties on the Chemicalize site


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